N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide

C13H25N3O3 — CID 3127683

IUPACN'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H25N3O3/c1-11(2)10-15-13(18)12(17)14-4-3-5-16-6-8-19-9-7-16/h11H,3-10H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyMKZPRZXTYOHKFC-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.40
Rot. Bonds6

About N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide

N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 3127683) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID3127683
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H25N3O3/c1-11(2)10-15-13(18)12(17)14-4-3-5-16-6-8-19-9-7-16/h11H,3-10H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyMKZPRZXTYOHKFC-UHFFFAOYSA-N
XLogP-0.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide (CID 3127683) is N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide is CC(C)CNC(=O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is MKZPRZXTYOHKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-11(2)10-15-13(18)12(17)14-4-3-5-16-6-8-19-9-7-16/h11H,3-10H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide?
N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 271.36 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 3127683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).